SCHEMBL6421827

SCHEMBL6421827

O=C1NCCc2c(F)cccc21

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.64
PARP10 Q53GL7 8/20 0.64
PARP11 Q9NR21 7/20 0.64
PDPK1 O15530 1/20 0.52
ACHE P22303 1/20 0.50
SRD5A1 P18405 1/20 0.47
PIM1 P11309 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CDK5 Q00535 1/20 0.44
ROCK1 Q13464 1/20 0.44
DYRK1A Q13627 1/20 0.44
LRRK2 Q5S007 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29587371 1.00 PARP1 (0.64) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL29871952 0.81 CDK5 (0.61) PARP1PARP10PARP11SRD5A1PIM1
SCHEMBL1078443 0.81 CDK5 (0.61) PARP1PARP10PARP11SRD5A1PIM1
SCHEMBL797996 0.78 PARP1 (0.64) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL21350834 0.78 SRD5A1 (0.41) PARP1PARP10PARP11PDPK1SRD5A1
SCHEMBL8118685 0.78 PARP1 (0.64) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL5073463 0.78 PARP1 (0.64) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL7581623 0.78 PARP1 (1.00) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL830807 0.78 PARP1 (1.00) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL4165821 0.78 ACHE (0.54) PARP1PARP10PARP11PDPK1ACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109863145-B Novel tetrahydroisoquinoline and tetrahydronaphthyridine compounds for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2022-04-12 CN disclosed
US-11124495-B2 Tetrahydroisoquinolines and terahydronaphthyridines for the treatment of hepatitis B virus infection HOFFMANN-LA ROCHE, INC. (US) 2021-09-21 US disclosed
US-11124495-B2 Tetrahydroisoquinolines and terahydronaphthyridines for the treatment of hepatitis B virus infection HOFFMANN-LA ROCHE, INC. (US) 2021-09-21 US disclosed
EP-3535256-B1 NOVEL TETRAHYDROISOQUINOLINES AND TERAHYDRONAPHTHYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-12-02 EP disclosed
EP-3535256-B1 NOVEL TETRAHYDROISOQUINOLINES AND TERAHYDRONAPHTHYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-12-02 EP disclosed
US-20190276433-A1 NOVEL TETRAHYDROISOQUINOLINES AND TERAHYDRONAPHTHYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2019-09-12 US disclosed
US-20190276433-A1 NOVEL TETRAHYDROISOQUINOLINES AND TERAHYDRONAPHTHYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2019-09-12 US disclosed
EP-3535256-A1 NOVEL TETRAHYDROISOQUINOLINES AND TERAHYDRONAPHTHYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2019-09-11 EP disclosed
EP-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11124495-B2 Tetrahydroisoquinolines and terahydronaphthyridines for the treatment of hepatitis B virus infection HCCS, HAVCR2, ZC3HAV1 PARP1 1494/4885PARP10 1377/4885PARP11 1606/4885
US-20190276433-A1 NOVEL TETRAHYDROISOQUINOLINES AND TERAHYDRONAPHTHYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, HCCS, RECQL PARP1 1195/4885PARP10 1761/4885PARP11 1946/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.